8-bromanyl-2-butan-2-ylsulfanyl-9-(phenylmethyl)purin-6-amine

Systemtic Name: 8-bromanyl-2-butan-2-ylsulfanyl-9-(phenylmethyl)purin-6-amine Openeye Name: 9-benzyl-8-bromo-2-sec-butylsulfanyl-purin-6-amine CAS Name: 8-bromo-2-(butan-2-ylthio)-9-(phenylmethyl)-6-purinamine IUPAC Name: 9-benzyl-8-bromo-2-butan-2-ylsulfanylpurin-6-amine Traditional Name: [9-benzyl-8-bromo-2-(sec-butylthio)purin-6-yl]amine Formula: C16H18BrN5S MolecularWeight: 392.31662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

Isomeric SMILES

CCC(C)SC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)Br

InChI

InChI=1S/C16H18BrN5S/c1-3-10(2)23-16-20-13(18)12-14(21-16)22(15(17)19-12)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,18,20,21)